TUCAN: A molecular identifier and descriptor applicable to the whole periodic table from hydrogen to oganesson

Atomic ring invariant and Modified CANON extended connectivity algorithm for symmetry perception in molecular graphs and rigorous canonicalization of SMILES

(2020) Dmytro G. Krotko   Journal of Cheminformatics

Molecular representations in AI-driven drug discovery: a review and practical guide

(2020) Laurianne David et al.   Journal of Cheminformatics

PubChem 2019 update: improved access to chemical data

(2018) Sunghwan Kim et al.   NUCLEIC ACIDS RESEARCH

Get Your Atoms in Order—An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm

(2015) Nadine Schneider et al.   Journal of Chemical Information and Modeling

InChI, the IUPAC International Chemical Identifier

(2015) Stephen R Heller et al.   Journal of Cheminformatics

Identification of Isomers of Organometallic Compounds

(2015) Sona Peter Mbue et al.   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

History of the Harvard ChemDraw Project

(2014) David A. Evans   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Accurate Specification of Molecular Structures: The Case for Zero-Order Bonds and Explicit Hydrogen Counting

(2011) Alex M. Clark   Journal of Chemical Information and Modeling